(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide

C14H22N2O2 — CID 104904581

IUPAC(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCCCCN(C)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-16(2)14(18)13(15)10-11-5-7-12(17)8-6-11/h5-8,13,17H,3-4,9-10,15H2,1-2H3/t13-/m1/s1
InChIKeyOXFQOQNICVTGFU-CYBMUJFWSA-N
MW250.34 g/mol
LogP1.52
Rot. Bonds6

About (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide

(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 104904581) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID104904581
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCCCCN(C)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-16(2)14(18)13(15)10-11-5-7-12(17)8-6-11/h5-8,13,17H,3-4,9-10,15H2,1-2H3/t13-/m1/s1
InChIKeyOXFQOQNICVTGFU-CYBMUJFWSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 107199354
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
CID 61165075
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 76895208
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 104905132

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 104904581) is (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide is CCCCN(C)C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is OXFQOQNICVTGFU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-9-16(2)14(18)13(15)10-11-5-7-12(17)8-6-11/h5-8,13,17H,3-4,9-10,15H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide?
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 104904581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).